Geometry & MOs

Info

ID:	146309
PubChem CID:	53668364
Reduced:	BrSN4O4H17C19 (1)
Stoich.:	ABC4D4E17F19 (1)
Weight, g/mol:	218.029603
ΔH_f, kcal/mol:	2.29
Dipole, Da:	2.04
IP(EA), eV:	-9.17(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC(=C1C(=O)C2=C(C(=C(C=C2)N3C=CN=N3)Br)SC)C4CC4

DOS

IR

Vibrations